n-Butyl 2'-Dimethyl-Tert-Butylsilyl-N(2)-(N,N-Dimethylamino)Methylene-Guanosine 3,',5'-Cyclic Phosphate
[CAS 126922-67-6]

Identification

• Name: n-Butyl 2'-Dimethyl-Tert-Butylsilyl-N(2)-(N,N-Dimethylamino)Methylene-Guanosine 3,',5'-Cyclic Phosphate
• Synonyms: [(E)-But-2-Enyl] [(2R,3R,4R,5R)-4-(Tert-Butyl-Dimethyl-Silyl)Oxy-5-[2-(Dimethylaminomethyleneamino)Purin-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(E)-But-2-Enyl] [(2R,3R,4R,5R)-4-(Tert-Butyl-Dimethylsilyl)Oxy-5-[2-(Dimethylaminomethyleneamino)-9-Purinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(E)-But-2-Enyl] [(2R,3R,4R,5R)-4-(Tert-Butyl-Dimethyl-Silyl)Oxy-5-[2-(Dimethylaminomethylideneamino)Purin-9-Yl]-3-Hydroxy-Oxolan-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₃H₃₉N₆O₇PSi
• Molecular Weight: 570.66
• CAS Registry Number: 126922-67-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O[Si](C(C)(C)C)(C)C)CO[P](OC\C=C\C)(=O)O)[N]2C3=C(N=C2)C=NC(=N3)N=CN(C)C
• InChI: 1S/C23H39N6O7PSi/c1-9-10-11-33-37(31,32)34-13-17-18(30)19(36-38(7,8)23(2,3)4)21(35-17)29-15-25-16-12-24-22(27-20(16)29)26-14-28(5)6/h9-10,12,14-15,17-19,21,30H,11,13H2,1-8H3,(H,31,32)/b10-9+,26-14?/t17-,18-,19-,21-/m1/s1
• InChIKey: XPWZMBJMSZSSNC-ZVOYMJRXSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 687.334°C at 760 mmHg (Cal.)
• Flash point: 369.487°C (Cal.)